Afsane Farhadi Toopkanloo

3 Questions 2 Answers 0 Followers

Questions related from Afsane Farhadi Toopkanloo

How can i analysis result of gas absorption in gromacs?

Hi every body I want to simulate gas absorption with gromacs. I have a box with three part , amine and water in the middle of box and gas is around of it(gas+amine solution+gas). Firstly I...

03 October 2020 452 2 View

Where is solvation model (SM8) in gaussian ?

I want to find a correct charge distribution of amines . I found that solvation model (SM8) has correct charge distribution .how can I use this solvation model in gaussview and gaussian ?

11 February 2020 4,454 4 View

Why Isotherm Absorption has been zero In the adsorption process of ethylene (or butane) on polyethylene?

I study the sorption of ethylene(or butene) on poly ethylene, i use the materials studio 8.0, in build polymer ten repeat unit was selected , in first geometery optimization was done then the...

23 October 2018 3,191 3 View